CID 98616

1-methylnaphthalen-2-amine hydrochloride

Structural Information

Molecular Formula
C11H11N
SMILES
CC1=C(C=CC2=CC=CC=C12)N
InChI
InChI=1S/C11H11N/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,12H2,1H3
InChIKey
FFJWPGGBISIFHI-UHFFFAOYSA-N
Compound name
1-methylnaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

315
Patents

157.08914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09642 130.6
[M+Na]+ 180.07836 139.9
[M-H]- 156.08186 135.4
[M+NH4]+ 175.12296 152.7
[M+K]+ 196.05230 136.2
[M+H-H2O]+ 140.08640 125.1
[M+HCOO]- 202.08734 155.0
[M+CH3COO]- 216.10299 145.0
[M+Na-2H]- 178.06381 139.1
[M]+ 157.08859 129.2
[M]- 157.08969 129.2
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