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
trans-(1S,2S)-2-aminocycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

129.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 123.8
[M+Na]+ 152.104588 126.5
[M-H]- 128.108094 126.1
[M+NH4]+ 147.149193 143.0
[M+K]+ 168.078528 129.7
[M+H-H2O]+ 112.112630 119.0
[M+HCOO]- 174.113571 142.9
[M+CH3COO]- 188.129221 173.4
[M+Na-2H]- 150.090036 127.9
[M]+ 129.11482142 113.9
[M]- 129.11591858 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