CID 28102815

1036494-92-4

Structural Information

Molecular Formula
C12H18N2O
SMILES
COC1=C(C=C(C=C1)CN2CCCC2)N
InChI
InChI=1S/C12H18N2O/c1-15-12-5-4-10(8-11(12)13)9-14-6-2-3-7-14/h4-5,8H,2-3,6-7,9,13H2,1H3
InChIKey
DFCHYLHKWPSOCX-UHFFFAOYSA-N
Compound name
2-methoxy-5-(pyrrolidin-1-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 146.8
[M+Na]+ 229.13112 153.2
[M-H]- 205.13462 151.5
[M+NH4]+ 224.17572 165.8
[M+K]+ 245.10506 150.3
[M+H-H2O]+ 189.13916 139.3
[M+HCOO]- 251.14010 169.2
[M+CH3COO]- 265.15575 187.7
[M+Na-2H]- 227.11657 149.5
[M]+ 206.14135 144.1
[M]- 206.14245 144.1
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

No patent data available for this compound.