CID 85833

15373-31-6

Structural Information

Molecular Formula
C10H15N
SMILES
CC1=CCC(C1(C)C)CC#N
InChI
InChI=1S/C10H15N/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9H,5-6H2,1-3H3
InChIKey
YYJOTFQPYNOYAB-UHFFFAOYSA-N
Compound name
2-(2,2,3-trimethylcyclopent-3-en-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

169
Patents

149.12045 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 130.0
[M+Na]+ 172.10967 141.1
[M+NH4]+ 167.15427 137.0
[M+K]+ 188.08361 131.6
[M-H]- 148.11317 124.8
[M+Na-2H]- 170.09512 134.4
[M]+ 149.11990 129.4
[M]- 149.12100 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe