CID 12499287

3-methylnaphthalen-1-amine

Structural Information

Molecular Formula
C11H11N
SMILES
CC1=CC2=CC=CC=C2C(=C1)N
InChI
InChI=1S/C11H11N/c1-8-6-9-4-2-3-5-10(9)11(12)7-8/h2-7H,12H2,1H3
InChIKey
MTEAUBISQMFXCE-UHFFFAOYSA-N
Compound name
3-methylnaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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

No literature data available for this compound.

Patent stripe

patents stripe