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]+ 182.19032 144.1
[M+Na]+ 204.17226 146.1
[M-H]- 180.17576 148.0
[M+NH4]+ 199.21686 165.4
[M+K]+ 220.14620 143.9
[M+H-H2O]+ 164.18030 137.6
[M+HCOO]- 226.18124 161.4
[M+CH3COO]- 240.19689 182.9
[M+Na-2H]- 202.15771 148.9
[M]+ 181.18249 134.0
[M]- 181.18359 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.