CID 138040064

2247105-63-9

Structural Information

Molecular Formula
C7H13NO
SMILES
C1C[C@H]2[C@@H](C1)[C@H]([C@H]2N)O
InChI
InChI=1S/C7H13NO/c8-6-4-2-1-3-5(4)7(6)9/h4-7,9H,1-3,8H2/t4-,5+,6-,7+/m0/s1
InChIKey
ZCGHPWOGZWDUHI-BNHYGAARSA-N
Compound name
(1S,5R,6R,7S)-7-aminobicyclo[3.2.0]heptan-6-ol
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 123.9
[M+Na]+ 150.08894 129.6
[M-H]- 126.09244 126.7
[M+NH4]+ 145.13354 141.4
[M+K]+ 166.06288 130.7
[M+H-H2O]+ 110.09698 114.8
[M+HCOO]- 172.09792 143.9
[M+CH3COO]- 186.11357 175.3
[M+Na-2H]- 148.07439 127.7
[M]+ 127.09917 128.0
[M]- 127.10027 128.0
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.