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
1
Annotation Hits

0
References

54
Patents

192.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.13355 142.3
[M+Na]+ 215.11549 149.0
[M-H]- 191.11899 147.1
[M+NH4]+ 210.16009 161.8
[M+K]+ 231.08943 146.4
[M+H-H2O]+ 175.12353 134.9
[M+HCOO]- 237.12447 165.0
[M+CH3COO]- 251.14012 184.7
[M+Na-2H]- 213.10094 145.4
[M]+ 192.12572 139.2
[M]- 192.12682 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