CID 379926

Nsc665118

Structural Information

Molecular Formula
C12H21NO
SMILES
CC1=CCC(CC1)C(C)(C)NC(=O)C
InChI
InChI=1S/C12H21NO/c1-9-5-7-11(8-6-9)12(3,4)13-10(2)14/h5,11H,6-8H2,1-4H3,(H,13,14)
InChIKey
VEJCRBUNIYKDTJ-UHFFFAOYSA-N
Compound name
N-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 146.6
[M+Na]+ 218.15153 151.4
[M-H]- 194.15503 149.7
[M+NH4]+ 213.19613 166.0
[M+K]+ 234.12547 150.0
[M+H-H2O]+ 178.15957 141.2
[M+HCOO]- 240.16051 166.2
[M+CH3COO]- 254.17616 188.7
[M+Na-2H]- 216.13698 150.4
[M]+ 195.16176 144.0
[M]- 195.16286 144.0
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.