CID 72207813

{2-azabicyclo[3.1.1]heptan-1-yl}methanol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1CNC2(CC1C2)CO
InChI
InChI=1S/C7H13NO/c9-5-7-3-6(4-7)1-2-8-7/h6,8-9H,1-5H2
InChIKey
NZPQUUKDWPIDAW-UHFFFAOYSA-N
Compound name
2-azabicyclo[3.1.1]heptan-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

127.09972 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.10700 136.3
[M+Na]+ 150.08894 141.1
[M-H]- 126.09244 131.6
[M+NH4]+ 145.13354 155.4
[M+K]+ 166.06288 141.6
[M+H-H2O]+ 110.09698 128.0
[M+HCOO]- 172.09792 146.8
[M+CH3COO]- 186.11357 146.6
[M+Na-2H]- 148.07439 147.7
[M]+ 127.09917 143.8
[M]- 127.10027 143.8
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

patents stripe