CID 10080426

(1s,2s)-2-aminocycloheptanol

Structural Information

Molecular Formula
C7H15NO
SMILES
C1CC[C@@H]([C@H](CC1)O)N
InChI
InChI=1S/C7H15NO/c8-6-4-2-1-3-5-7(6)9/h6-7,9H,1-5,8H2/t6-,7-/m0/s1
InChIKey
ZWOFTVSNNFYPAB-BQBZGAKWSA-N
Compound name
(1S,2S)-2-aminocycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

134
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 123.8
[M+Na]+ 152.10459 126.5
[M-H]- 128.10809 126.1
[M+NH4]+ 147.14919 143.0
[M+K]+ 168.07853 129.7
[M+H-H2O]+ 112.11263 119.0
[M+HCOO]- 174.11357 142.9
[M+CH3COO]- 188.12922 173.4
[M+Na-2H]- 150.09004 127.9
[M]+ 129.11482 113.9
[M]- 129.11592 113.9
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