CID 77184354

Idydekrgdsorft-uhfffaoysa-n

Structural Information

Molecular Formula
C14H21N
SMILES
CC1(C2CC=C(C1C2)CC(C)(C)C#N)C
InChI
InChI=1S/C14H21N/c1-13(2,9-15)8-10-5-6-11-7-12(10)14(11,3)4/h5,11-12H,6-8H2,1-4H3
InChIKey
IDYDEKRGDSORFT-UHFFFAOYSA-N
Compound name
3-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-2,2-dimethylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

203.1674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.174676 163.4
[M+Na]+ 226.156618 172.1
[M-H]- 202.160124 163.9
[M+NH4]+ 221.201223 181.3
[M+K]+ 242.130558 169.0
[M+H-H2O]+ 186.164660 150.5
[M+HCOO]- 248.165601 173.3
[M+CH3COO]- 262.181251 207.7
[M+Na-2H]- 224.142066 171.4
[M]+ 203.16685142 170.4
[M]- 203.16794858 170.4
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

patents stripe