CID 212644

N-(1,7,7-trimethyl-bicyclo(2.2.1)hept-2-yl)-acetamide

Structural Information

Molecular Formula
C12H21NO
SMILES
CC(=O)NC1CC2CCC1(C2(C)C)C
InChI
InChI=1S/C12H21NO/c1-8(14)13-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3,(H,13,14)
InChIKey
PNZAEYAVGJMPAY-UHFFFAOYSA-N
Compound name
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

195.16231 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 146.2
[M+Na]+ 218.15153 153.9
[M-H]- 194.15503 149.4
[M+NH4]+ 213.19613 174.8
[M+K]+ 234.12547 151.5
[M+H-H2O]+ 178.15957 143.4
[M+HCOO]- 240.16051 166.8
[M+CH3COO]- 254.17616 188.2
[M+Na-2H]- 216.13698 149.6
[M]+ 195.16176 145.7
[M]- 195.16286 145.7
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.