CID 5014553

(2-aminocycloheptyl)methanol

Structural Information

Molecular Formula
C8H17NO
SMILES
C1CCC(C(CC1)N)CO
InChI
InChI=1S/C8H17NO/c9-8-5-3-1-2-4-7(8)6-10/h7-8,10H,1-6,9H2
InChIKey
VMTDISKAQUTKLX-UHFFFAOYSA-N
Compound name
(2-aminocycloheptyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 128.1
[M+Na]+ 166.120228 130.4
[M-H]- 142.123734 130.3
[M+NH4]+ 161.164833 146.8
[M+K]+ 182.094168 133.5
[M+H-H2O]+ 126.128270 123.2
[M+HCOO]- 188.129211 146.9
[M+CH3COO]- 202.144861 176.3
[M+Na-2H]- 164.105676 131.7
[M]+ 143.13046142 118.6
[M]- 143.13155858 118.6
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.