CID 18989672

1-cyclopropyl-1h-pyrrole

Structural Information

Molecular Formula
C7H9N
SMILES
C1CC1N2C=CC=C2
InChI
InChI=1S/C7H9N/c1-2-6-8(5-1)7-3-4-7/h1-2,5-7H,3-4H2
InChIKey
OEQZLSJQNUZECG-UHFFFAOYSA-N
Compound name
1-cyclopropylpyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

107.0735 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.080776 120.7
[M+Na]+ 130.062718 130.8
[M-H]- 106.066224 127.1
[M+NH4]+ 125.107323 139.1
[M+K]+ 146.036658 128.7
[M+H-H2O]+ 90.070760 114.0
[M+HCOO]- 152.071701 145.7
[M+CH3COO]- 166.087351 135.4
[M+Na-2H]- 128.048166 127.9
[M]+ 107.07295142 122.0
[M]- 107.07404858 122.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe