CID 39236673

4-{[cyclopropyl(methyl)amino]methyl}aniline

Structural Information

Molecular Formula
C11H16N2
SMILES
CN(CC1=CC=C(C=C1)N)C2CC2
InChI
InChI=1S/C11H16N2/c1-13(11-6-7-11)8-9-2-4-10(12)5-3-9/h2-5,11H,6-8,12H2,1H3
InChIKey
QOPUVTLCVAKZRB-UHFFFAOYSA-N
Compound name
4-[[cyclopropyl(methyl)amino]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.13135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 135.3
[M+Na]+ 199.120568 143.3
[M-H]- 175.124074 143.9
[M+NH4]+ 194.165173 150.7
[M+K]+ 215.094508 140.8
[M+H-H2O]+ 159.128610 128.4
[M+HCOO]- 221.129551 161.8
[M+CH3COO]- 235.145201 192.4
[M+Na-2H]- 197.106016 141.5
[M]+ 176.13080142 136.4
[M]- 176.13189858 136.4
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.