CID 139022395

2228355-78-8

Structural Information

Molecular Formula
C12H21NO
SMILES
CC1(C2CC=C(C1C2)C(C)(CN)O)C
InChI
InChI=1S/C12H21NO/c1-11(2)8-4-5-9(10(11)6-8)12(3,14)7-13/h5,8,10,14H,4,6-7,13H2,1-3H3
InChIKey
AQOUXANYKATMSM-UHFFFAOYSA-N
Compound name
1-amino-2-(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 163.5
[M+Na]+ 218.151528 168.4
[M-H]- 194.155034 161.1
[M+NH4]+ 213.196133 181.8
[M+K]+ 234.125468 168.7
[M+H-H2O]+ 178.159570 155.6
[M+HCOO]- 240.160511 174.6
[M+CH3COO]- 254.176161 194.1
[M+Na-2H]- 216.136976 171.8
[M]+ 195.16176142 173.6
[M]- 195.16285858 173.6
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.