CID 44150417

72214-40-5

Structural Information

Molecular Formula
C13H19N
SMILES
CC1CCC2C(C2(C1)/C=C/C#N)(C)C
InChI
InChI=1S/C13H19N/c1-10-5-6-11-12(2,3)13(11,9-10)7-4-8-14/h4,7,10-11H,5-6,9H2,1-3H3/b7-4+
InChIKey
ZKOZRKAKTFRKJP-QPJJXVBHSA-N
Compound name
(E)-3-(3,7,7-trimethyl-1-bicyclo[4.1.0]heptanyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.15175 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 142.3
[M+Na]+ 212.14097 158.6
[M-H]- 188.14447 149.7
[M+NH4]+ 207.18557 162.5
[M+K]+ 228.11491 150.7
[M+H-H2O]+ 172.14901 135.2
[M+HCOO]- 234.14995 159.8
[M+CH3COO]- 248.16560 200.1
[M+Na-2H]- 210.12642 149.9
[M]+ 189.15120 141.2
[M]- 189.15230 141.2
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.