CID 117098

2,5-dimethoxy-4-(1-pyrrolidinyl)benzenamine

Structural Information

Molecular Formula
C12H18N2O2
SMILES
COC1=CC(=C(C=C1N)OC)N2CCCC2
InChI
InChI=1S/C12H18N2O2/c1-15-11-8-10(14-5-3-4-6-14)12(16-2)7-9(11)13/h7-8H,3-6,13H2,1-2H3
InChIKey
ZZZKWNDGJQZREU-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-4-pyrrolidin-1-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.13683 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 149.8
[M+Na]+ 245.12605 156.9
[M-H]- 221.12955 154.9
[M+NH4]+ 240.17065 168.3
[M+K]+ 261.09999 154.6
[M+H-H2O]+ 205.13409 142.3
[M+HCOO]- 267.13503 172.3
[M+CH3COO]- 281.15068 191.0
[M+Na-2H]- 243.11150 151.8
[M]+ 222.13628 148.9
[M]- 222.13738 148.9
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