CID 2776207

(1-methyl-1h-pyrrol-2-yl)methanamine

Structural Information

Molecular Formula
C6H10N2
SMILES
CN1C=CC=C1CN
InChI
InChI=1S/C6H10N2/c1-8-4-2-3-6(8)5-7/h2-4H,5,7H2,1H3
InChIKey
GGCBARJYVAPZJQ-UHFFFAOYSA-N
Compound name
(1-methylpyrrol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

110.0844 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 120.5
[M+Na]+ 133.07362 129.2
[M-H]- 109.07712 122.8
[M+NH4]+ 128.11822 143.6
[M+K]+ 149.04756 127.9
[M+H-H2O]+ 93.081660 114.6
[M+HCOO]- 155.08260 145.9
[M+CH3COO]- 169.09825 170.2
[M+Na-2H]- 131.05907 126.6
[M]+ 110.08385 119.2
[M]- 110.08495 119.2
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