CID 45088655

2253632-31-2

Structural Information

Molecular Formula
C10H12N2
SMILES
CNC1=CN(C2=CC=CC=C21)C
InChI
InChI=1S/C10H12N2/c1-11-9-7-12(2)10-6-4-3-5-8(9)10/h3-7,11H,1-2H3
InChIKey
XJGWYGYUKLQABS-UHFFFAOYSA-N
Compound name
N,1-dimethylindol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

160.10005 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.10733 131.1
[M+Na]+ 183.08927 141.7
[M-H]- 159.09277 135.4
[M+NH4]+ 178.13387 154.0
[M+K]+ 199.06321 138.5
[M+H-H2O]+ 143.09731 125.0
[M+HCOO]- 205.09825 157.3
[M+CH3COO]- 219.11390 146.2
[M+Na-2H]- 181.07472 139.6
[M]+ 160.09950 133.1
[M]- 160.10060 133.1
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