CID 15031854

3-(cis-3-hexenyloxy)propanenitril

Structural Information

Molecular Formula
C9H15NO
SMILES
CC/C=C\CCOCCC#N
InChI
InChI=1S/C9H15NO/c1-2-3-4-5-8-11-9-6-7-10/h3-4H,2,5-6,8-9H2,1H3/b4-3-
InChIKey
TVSGBEJPUDTIBF-ARJAWSKDSA-N
Compound name
3-[(Z)-hex-3-enoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

63
Patents

153.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 131.4
[M+Na]+ 176.104588 139.8
[M-H]- 152.108094 132.0
[M+NH4]+ 171.149193 150.8
[M+K]+ 192.078528 138.5
[M+H-H2O]+ 136.112630 120.2
[M+HCOO]- 198.113571 151.5
[M+CH3COO]- 212.129221 190.6
[M+Na-2H]- 174.090036 137.3
[M]+ 153.11482142 129.5
[M]- 153.11591858 129.5
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

patents stripe