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]+ 172.16959 137.1
[M+Na]+ 194.15153 137.6
[M-H]- 170.15503 138.6
[M+NH4]+ 189.19613 154.4
[M+K]+ 210.12547 140.5
[M+H-H2O]+ 154.15957 131.7
[M+HCOO]- 216.16051 154.4
[M+CH3COO]- 230.17616 181.8
[M+Na-2H]- 192.13698 139.2
[M]+ 171.16176 127.4
[M]- 171.16286 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.