CID 28121865

72342-85-9

Structural Information

Molecular Formula
C7H15NO
SMILES
CO[C@@H]1CCCC[C@@H]1N
InChI
InChI=1S/C7H15NO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5,8H2,1H3/t6-,7+/m0/s1
InChIKey
NBWFBXBZOBXMHO-NKWVEPMBSA-N
Compound name
cis-(1S,2R)-2-methoxycyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
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 127.7
[M+Na]+ 152.104588 132.9
[M-H]- 128.108094 130.3
[M+NH4]+ 147.149193 149.3
[M+K]+ 168.078528 132.3
[M+H-H2O]+ 112.112630 122.3
[M+HCOO]- 174.113571 149.2
[M+CH3COO]- 188.129221 173.6
[M+Na-2H]- 150.090036 132.5
[M]+ 129.11482142 122.6
[M]- 129.11591858 122.6
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