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]+ 196.16959 163.5
[M+Na]+ 218.15153 168.4
[M-H]- 194.15503 161.1
[M+NH4]+ 213.19613 181.8
[M+K]+ 234.12547 168.7
[M+H-H2O]+ 178.15957 155.6
[M+HCOO]- 240.16051 174.6
[M+CH3COO]- 254.17616 194.1
[M+Na-2H]- 216.13698 171.8
[M]+ 195.16176 173.6
[M]- 195.16286 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.