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]+ 208.13187 143.7
[M+Na]+ 230.11381 153.1
[M-H]- 206.11731 141.5
[M+NH4]+ 225.15841 157.8
[M+K]+ 246.08775 145.3
[M+H-H2O]+ 190.12185 131.1
[M+HCOO]- 252.12279 159.7
[M+CH3COO]- 266.13844 189.8
[M+Na-2H]- 228.09926 149.2
[M]+ 207.12404 138.8
[M]- 207.12514 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.