CID 13265787

2-(aminomethyl)bicyclo[2.1.1]hexan-2-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C2CC1C(C2)(CN)O
InChI
InChI=1S/C7H13NO/c8-4-7(9)3-5-1-6(7)2-5/h5-6,9H,1-4,8H2
InChIKey
KHEADQXFHZBJJQ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)bicyclo[2.1.1]hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 133.9
[M+Na]+ 150.08894 140.0
[M-H]- 126.09244 133.7
[M+NH4]+ 145.13354 157.4
[M+K]+ 166.06288 140.5
[M+H-H2O]+ 110.09698 127.5
[M+HCOO]- 172.09792 151.8
[M+CH3COO]- 186.11357 176.8
[M+Na-2H]- 148.07439 141.0
[M]+ 127.09917 143.5
[M]- 127.10027 143.5
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.