CID 19610380

5-aminobicyclo[2.2.1]heptan-2-ol hydrochloride

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C2CC(C1CC2O)N
InChI
InChI=1S/C7H13NO/c8-6-2-5-1-4(6)3-7(5)9/h4-7,9H,1-3,8H2
InChIKey
VUTVKXUAPAJONV-UHFFFAOYSA-N
Compound name
5-aminobicyclo[2.2.1]heptan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 126.6
[M+Na]+ 150.088938 133.9
[M-H]- 126.092444 128.0
[M+NH4]+ 145.133543 152.9
[M+K]+ 166.062878 131.8
[M+H-H2O]+ 110.096980 123.0
[M+HCOO]- 172.097921 147.6
[M+CH3COO]- 186.113571 171.4
[M+Na-2H]- 148.074386 129.9
[M]+ 127.09917142 122.3
[M]- 127.10026858 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe