CID 13619723

100351-04-0

Structural Information

Molecular Formula
C6H11N
SMILES
CC1=C(CNC1)C
InChI
InChI=1S/C6H11N/c1-5-3-7-4-6(5)2/h7H,3-4H2,1-2H3
InChIKey
MNCSOJLNXISMOS-UHFFFAOYSA-N
Compound name
3,4-dimethyl-2,5-dihydro-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

97.08915 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 119.0
[M+Na]+ 120.07837 127.1
[M-H]- 96.081874 120.1
[M+NH4]+ 115.12297 142.4
[M+K]+ 136.05231 125.6
[M+H-H2O]+ 80.086410 113.8
[M+HCOO]- 142.08735 141.0
[M+CH3COO]- 156.10300 163.9
[M+Na-2H]- 118.06382 124.3
[M]+ 97.088601 116.0
[M]- 97.089699 116.0
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