CID 6484233

1-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C8H14N2O
SMILES
CC(C)CC1=NOC(=C1)CN
InChI
InChI=1S/C8H14N2O/c1-6(2)3-7-4-8(5-9)11-10-7/h4,6H,3,5,9H2,1-2H3
InChIKey
XQEQBJYRBWRLCS-UHFFFAOYSA-N
Compound name
[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

154.11061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.11789 134.4
[M+Na]+ 177.09983 142.0
[M-H]- 153.10333 137.0
[M+NH4]+ 172.14443 154.3
[M+K]+ 193.07377 141.9
[M+H-H2O]+ 137.10787 128.0
[M+HCOO]- 199.10881 157.4
[M+CH3COO]- 213.12446 179.1
[M+Na-2H]- 175.08528 138.9
[M]+ 154.11006 135.1
[M]- 154.11116 135.1
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