CID 83906634

N-methylspiro[5.5]undecan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H23N
SMILES
CNC1CCCCC12CCCCC2
InChI
InChI=1S/C12H23N/c1-13-11-7-3-6-10-12(11)8-4-2-5-9-12/h11,13H,2-10H2,1H3
InChIKey
ULASJCHTMCXWGM-UHFFFAOYSA-N
Compound name
N-methylspiro[5.5]undecan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.18304 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.190316 144.1
[M+Na]+ 204.172258 146.1
[M-H]- 180.175764 148.0
[M+NH4]+ 199.216863 165.4
[M+K]+ 220.146198 143.9
[M+H-H2O]+ 164.180300 137.6
[M+HCOO]- 226.181241 161.4
[M+CH3COO]- 240.196891 182.9
[M+Na-2H]- 202.157706 148.9
[M]+ 181.18249142 134.0
[M]- 181.18358858 134.0
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.