CID 25323872

4-{5h,6h,7h-pyrrolo[1,2-a]imidazol-2-yl}aniline

Structural Information

Molecular Formula
C12H13N3
SMILES
C1CC2=NC(=CN2C1)C3=CC=C(C=C3)N
InChI
InChI=1S/C12H13N3/c13-10-5-3-9(4-6-10)11-8-15-7-1-2-12(15)14-11/h3-6,8H,1-2,7,13H2
InChIKey
HXHKKYGWCHNBDN-UHFFFAOYSA-N
Compound name
4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.11095 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.11823 142.4
[M+Na]+ 222.10017 151.2
[M-H]- 198.10367 147.6
[M+NH4]+ 217.14477 163.1
[M+K]+ 238.07411 147.2
[M+H-H2O]+ 182.10821 134.6
[M+HCOO]- 244.10915 165.4
[M+CH3COO]- 258.12480 155.6
[M+Na-2H]- 220.08562 146.2
[M]+ 199.11040 140.1
[M]- 199.11150 140.1
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.