CID 85276

16089-42-2

Structural Information

Molecular Formula
C11H16N2O
SMILES
COC1=C(C=CC(=C1)N)N2CCCC2
InChI
InChI=1S/C11H16N2O/c1-14-11-8-9(12)4-5-10(11)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
YVEZBGKUTDESAG-UHFFFAOYSA-N
Compound name
3-methoxy-4-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

39
Patents

192.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 142.3
[M+Na]+ 215.115488 149.0
[M-H]- 191.118994 147.1
[M+NH4]+ 210.160093 161.8
[M+K]+ 231.089428 146.4
[M+H-H2O]+ 175.123530 134.9
[M+HCOO]- 237.124471 165.0
[M+CH3COO]- 251.140121 184.7
[M+Na-2H]- 213.100936 145.4
[M]+ 192.12572142 139.2
[M]- 192.12681858 139.2
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

patents stripe