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]+ 177.13863 138.9
[M+Na]+ 199.12057 151.8
[M+NH4]+ 194.16517 148.9
[M+K]+ 215.09451 146.7
[M-H]- 175.12407 151.0
[M+Na-2H]- 197.10602 149.7
[M]+ 176.13080 145.2
[M]- 176.13190 145.2
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.