CID 44150498

Einecs 279-189-9

Structural Information

Molecular Formula
C17H25N
SMILES
CC1(CCCC2(C3C1C(C2/C=C/C#N)CC3)C)C
InChI
InChI=1S/C17H25N/c1-16(2)9-5-10-17(3)13(6-4-11-18)12-7-8-14(17)15(12)16/h4,6,12-15H,5,7-10H2,1-3H3/b6-4+
InChIKey
RREVPZJCDBBRKX-GQCTYLIASA-N
Compound name
(E)-3-(3,3,7-trimethyl-8-tricyclo[5.4.0.02,9]undecanyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1987 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.205976 161.2
[M+Na]+ 266.187918 170.9
[M-H]- 242.191424 166.2
[M+NH4]+ 261.232523 184.8
[M+K]+ 282.161858 161.7
[M+H-H2O]+ 226.195960 151.2
[M+HCOO]- 288.196901 174.7
[M+CH3COO]- 302.212551 171.4
[M+Na-2H]- 264.173366 161.9
[M]+ 243.19815142 152.6
[M]- 243.19924858 152.6
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.