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

83
Patents

157.08914 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.096416 130.6
[M+Na]+ 180.078358 139.9
[M-H]- 156.081864 135.4
[M+NH4]+ 175.122963 152.7
[M+K]+ 196.052298 136.2
[M+H-H2O]+ 140.086400 125.1
[M+HCOO]- 202.087341 155.0
[M+CH3COO]- 216.102991 145.0
[M+Na-2H]- 178.063806 139.1
[M]+ 157.08859142 129.2
[M]- 157.08968858 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