CID 135583289

1h-1,2,4-triazolium, 1-(5-hexynyl)-3-((hydroxyimino)methyl)-4-methyl-, chloride

Structural Information

Molecular Formula
C10H15N4O
SMILES
C[N+]1=CN(N=C1/C=N/O)CCCCC#C
InChI
InChI=1S/C10H14N4O/c1-3-4-5-6-7-14-9-13(2)10(12-14)8-11-15/h1,8-9H,4-7H2,2H3/p+1/b11-8+
InChIKey
VFTNYOAPRNTFLO-DHZHZOJOSA-O
Compound name
(NE)-N-[(1-hex-5-ynyl-4-methyl-1,2,4-triazol-4-ium-3-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

207.12459 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.131866 143.7
[M+Na]+ 230.113808 153.1
[M-H]- 206.117314 141.5
[M+NH4]+ 225.158413 157.8
[M+K]+ 246.087748 145.3
[M+H-H2O]+ 190.121850 131.1
[M+HCOO]- 252.122791 159.7
[M+CH3COO]- 266.138441 189.8
[M+Na-2H]- 228.099256 149.2
[M]+ 207.12404142 138.8
[M]- 207.12513858 138.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.