CID 28065542

2-methyl-3-(1-pyrrolidinyl)aniline

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1=C(C=CC=C1N2CCCC2)N
InChI
InChI=1S/C11H16N2/c1-9-10(12)5-4-6-11(9)13-7-2-3-8-13/h4-6H,2-3,7-8,12H2,1H3
InChIKey
DTXKVZYRUSCUAK-UHFFFAOYSA-N
Compound name
2-methyl-3-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

176.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 139.2
[M+Na]+ 199.12057 146.1
[M-H]- 175.12407 144.1
[M+NH4]+ 194.16517 159.4
[M+K]+ 215.09451 143.0
[M+H-H2O]+ 159.12861 132.0
[M+HCOO]- 221.12955 161.7
[M+CH3COO]- 235.14520 182.6
[M+Na-2H]- 197.10602 142.4
[M]+ 176.13080 134.8
[M]- 176.13190 134.8
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

patents stripe