CID 10534864

1026984-88-2

Structural Information

Molecular Formula
C9H16N2
SMILES
CC(C)NCC1=CC=CN1C
InChI
InChI=1S/C9H16N2/c1-8(2)10-7-9-5-4-6-11(9)3/h4-6,8,10H,7H2,1-3H3
InChIKey
JKVSQMWIMFRPCJ-UHFFFAOYSA-N
Compound name
N-[(1-methylpyrrol-2-yl)methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

152.13135 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.13863 134.8
[M+Na]+ 175.12057 141.9
[M-H]- 151.12407 137.2
[M+NH4]+ 170.16517 156.4
[M+K]+ 191.09451 140.7
[M+H-H2O]+ 135.12861 128.3
[M+HCOO]- 197.12955 158.8
[M+CH3COO]- 211.14520 180.9
[M+Na-2H]- 173.10602 139.1
[M]+ 152.13080 134.9
[M]- 152.13190 134.9
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