CID 78361

2-(tert-butylamino)ethanol

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)(C)NCCO
InChI
InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3
InChIKey
IUXYVKZUDNLISR-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2951
Patents

117.115364 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 126.9
[M+Na]+ 140.10458 133.4
[M-H]- 116.10809 126.1
[M+NH4]+ 135.14919 148.9
[M+K]+ 156.07852 133.1
[M+H-H2O]+ 100.11262 123.0
[M+HCOO]- 162.11356 148.9
[M+CH3COO]- 176.12922 170.9
[M+Na-2H]- 138.09003 134.3
[M]+ 117.11482 126.4
[M]- 117.11591 126.4
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