CID 65908661

3-amino-3-cycloheptylpropan-1-ol

Structural Information

Molecular Formula
C10H21NO
SMILES
C1CCCC(CC1)C(CCO)N
InChI
InChI=1S/C10H21NO/c11-10(7-8-12)9-5-3-1-2-4-6-9/h9-10,12H,1-8,11H2
InChIKey
MTVLOLXXZRGNMB-UHFFFAOYSA-N
Compound name
3-amino-3-cycloheptylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.16231 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.169586 137.1
[M+Na]+ 194.151528 137.6
[M-H]- 170.155034 138.6
[M+NH4]+ 189.196133 154.4
[M+K]+ 210.125468 140.5
[M+H-H2O]+ 154.159570 131.7
[M+HCOO]- 216.160511 154.4
[M+CH3COO]- 230.176161 181.8
[M+Na-2H]- 192.136976 139.2
[M]+ 171.16176142 127.4
[M]- 171.16285858 127.4
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.