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]+ 144.138286 127.2
[M+Na]+ 166.120228 130.0
[M-H]- 142.123734 130.8
[M+NH4]+ 161.164833 146.7
[M+K]+ 182.094168 133.8
[M+H-H2O]+ 126.128270 122.2
[M+HCOO]- 188.129211 147.5
[M+CH3COO]- 202.144861 178.8
[M+Na-2H]- 164.105676 131.4
[M]+ 143.13046142 119.6
[M]- 143.13155858 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.