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

36
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

literature stripe

Patent stripe

patents stripe