CID 23006278

893639-28-6

Structural Information

Molecular Formula
C9H14N2O
SMILES
CNCC1=NOC2=C1CCCC2
InChI
InChI=1S/C9H14N2O/c1-10-6-8-7-4-2-3-5-9(7)12-11-8/h10H,2-6H2,1H3
InChIKey
WHFJWJYDAIHSKX-UHFFFAOYSA-N
Compound name
N-methyl-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 134.3
[M+Na]+ 189.09983 141.2
[M-H]- 165.10333 137.7
[M+NH4]+ 184.14443 154.9
[M+K]+ 205.07377 140.3
[M+H-H2O]+ 149.10787 127.9
[M+HCOO]- 211.10881 155.7
[M+CH3COO]- 225.12446 179.9
[M+Na-2H]- 187.08528 141.7
[M]+ 166.11006 133.1
[M]- 166.11116 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

No patent data available for this compound.