CID 1415528

(1,3-benzoxazol-2-ylmethyl)amine hydrochloride

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC=C2C(=C1)N=C(O2)CN
InChI
InChI=1S/C8H8N2O/c9-5-8-10-6-3-1-2-4-7(6)11-8/h1-4H,5,9H2
InChIKey
YKUMWOOPDHGKIR-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-2-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

239
Patents

148.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 125.5
[M+Na]+ 171.05288 136.1
[M-H]- 147.05638 129.8
[M+NH4]+ 166.09748 147.0
[M+K]+ 187.02682 134.5
[M+H-H2O]+ 131.06092 119.5
[M+HCOO]- 193.06186 151.1
[M+CH3COO]- 207.07751 140.8
[M+Na-2H]- 169.03833 135.5
[M]+ 148.06311 127.4
[M]- 148.06421 127.4
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