CID 1096385

Methyl[(1-methyl-1h-pyrrol-2-yl)methyl]amine

Structural Information

Molecular Formula
C7H12N2
SMILES
CNCC1=CC=CN1C
InChI
InChI=1S/C7H12N2/c1-8-6-7-4-3-5-9(7)2/h3-5,8H,6H2,1-2H3
InChIKey
YEMKVBRHRNHHGE-UHFFFAOYSA-N
Compound name
N-methyl-1-(1-methylpyrrol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

44
Patents

124.10005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.10733 124.8
[M+Na]+ 147.08927 133.0
[M-H]- 123.09277 127.4
[M+NH4]+ 142.13387 147.6
[M+K]+ 163.06321 131.8
[M+H-H2O]+ 107.09731 118.6
[M+HCOO]- 169.09825 150.4
[M+CH3COO]- 183.11390 174.0
[M+Na-2H]- 145.07472 131.4
[M]+ 124.09950 124.8
[M]- 124.10060 124.8
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