CID 27732

N-(4-methylheptan-2-yl)cyclopropanamine

Structural Information

Molecular Formula
C11H23N
SMILES
CCCC(C)CC(C)NC1CC1
InChI
InChI=1S/C11H23N/c1-4-5-9(2)8-10(3)12-11-6-7-11/h9-12H,4-8H2,1-3H3
InChIKey
HXSAOUQBBKCEFY-UHFFFAOYSA-N
Compound name
N-(4-methylheptan-2-yl)cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.18304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.190316 140.7
[M+Na]+ 192.172258 146.6
[M-H]- 168.175764 144.7
[M+NH4]+ 187.216863 156.2
[M+K]+ 208.146198 144.7
[M+H-H2O]+ 152.180300 134.3
[M+HCOO]- 214.181241 162.5
[M+CH3COO]- 228.196891 190.2
[M+Na-2H]- 190.157706 143.9
[M]+ 169.18249142 143.0
[M]- 169.18358858 143.0
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.