CID 85277

16089-43-3

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1=C(C=CC(=C1)N)N2CCCC2
InChI
InChI=1S/C11H16N2/c1-9-8-10(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
HXGBHCCAZHQXQV-UHFFFAOYSA-N
Compound name
3-methyl-4-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

36
Patents

176.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 139.2
[M+Na]+ 199.120568 146.1
[M-H]- 175.124074 144.1
[M+NH4]+ 194.165173 159.4
[M+K]+ 215.094508 143.0
[M+H-H2O]+ 159.128610 132.0
[M+HCOO]- 221.129551 161.7
[M+CH3COO]- 235.145201 182.6
[M+Na-2H]- 197.106016 142.4
[M]+ 176.13080142 134.8
[M]- 176.13189858 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