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]+ 128.106996 136.3
[M+Na]+ 150.088938 141.1
[M-H]- 126.092444 131.6
[M+NH4]+ 145.133543 155.4
[M+K]+ 166.062878 141.6
[M+H-H2O]+ 110.096980 128.0
[M+HCOO]- 172.097921 146.8
[M+CH3COO]- 186.113571 146.6
[M+Na-2H]- 148.074386 147.7
[M]+ 127.09917142 143.8
[M]- 127.10026858 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