CID 135705434

117983-18-3

Structural Information

Molecular Formula
C14H22N3O2
SMILES
C[N+]1=C(N(C=C1)COC(CCC=C)CC=C)/C=N/O
InChI
InChI=1S/C14H21N3O2/c1-4-6-8-13(7-5-2)19-12-17-10-9-16(3)14(17)11-15-18/h4-5,9-11,13H,1-2,6-8,12H2,3H3/p+1
InChIKey
XTWKZVMNPNZCFF-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(octa-1,7-dien-4-yloxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.1712 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.17848 164.4
[M+Na]+ 287.16042 171.0
[M-H]- 263.16392 165.2
[M+NH4]+ 282.20502 179.8
[M+K]+ 303.13436 162.0
[M+H-H2O]+ 247.16846 159.0
[M+HCOO]- 309.16940 186.2
[M+CH3COO]- 323.18505 193.3
[M+Na-2H]- 285.14587 168.0
[M]+ 264.17065 166.4
[M]- 264.17175 166.4
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.