CID 44152348

Einecs 279-187-8

Structural Information

Molecular Formula
C12H17N
SMILES
CC1(C2CCC(C2)C1/C=C/C#N)C
InChI
InChI=1S/C12H17N/c1-12(2)10-6-5-9(8-10)11(12)4-3-7-13/h3-4,9-11H,5-6,8H2,1-2H3/b4-3+
InChIKey
OJJBGBXYELHVSF-ONEGZZNKSA-N
Compound name
(E)-3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.1361 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 143.5
[M+Na]+ 198.125318 154.7
[M-H]- 174.128824 146.6
[M+NH4]+ 193.169923 168.7
[M+K]+ 214.099258 147.6
[M+H-H2O]+ 158.133360 133.3
[M+HCOO]- 220.134301 161.0
[M+CH3COO]- 234.149951 194.2
[M+Na-2H]- 196.110766 146.3
[M]+ 175.13555142 138.0
[M]- 175.13664858 138.0
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.