CID 16788714

2-methoxycycloheptan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
COC1CCCCCC1N
InChI
InChI=1S/C8H17NO/c1-10-8-6-4-2-3-5-7(8)9/h7-8H,2-6,9H2,1H3
InChIKey
VAPWMUWLKYOLFO-UHFFFAOYSA-N
Compound name
2-methoxycycloheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 127.2
[M+Na]+ 166.12023 130.0
[M-H]- 142.12373 130.8
[M+NH4]+ 161.16483 146.7
[M+K]+ 182.09417 133.8
[M+H-H2O]+ 126.12827 122.2
[M+HCOO]- 188.12921 147.5
[M+CH3COO]- 202.14486 178.8
[M+Na-2H]- 164.10568 131.4
[M]+ 143.13046 119.6
[M]- 143.13156 119.6
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

No patent data available for this compound.